(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol

C11H20NO+ — CID 72941454

IUPAC(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)[N+]21CCCC1
InChIInChI=1S/C11H20NO/c13-11-7-9-3-4-10(8-11)12(9)5-1-2-6-12/h9-11,13H,1-8H2/q+1/t9-,10+,11?
InChIKeyMXMOCKPTNSGRFA-ZACCUICWSA-N
MW182.29 g/mol
LogP1.28
Rot. Bonds

About (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol

(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol (PubChem CID 72941454) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol.

Molecular Properties

Compound Name(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol
PubChem CID72941454
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol
SMILESOC1C[C@H]2CC[C@@H](C1)[N+]21CCCC1
InChIInChI=1S/C11H20NO/c13-11-7-9-3-4-10(8-11)12(9)5-1-2-6-12/h9-11,13H,1-8H2/q+1/t9-,10+,11?
InChIKeyMXMOCKPTNSGRFA-ZACCUICWSA-N
XLogP1.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol with MolForge

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Related Compounds

8-Methyl-8-azabicyclo(3.2.1)octan-3-ol
CID 8424
(1S,5R)-8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Ol
CID 449293
Tropine
CID 6101956
Npc136192
CID 11859618
3-Hydroxy-8-methyl-8-prop-2-ynyl-8-azoniabicyclo[3.2.1]octane
CID 16193699
endo-8-Isopropyl-8-azabicyclo(3.2.1)octan-3-ol
CID 103007
Pseudotropine hydrochloride
CID 200599
3-Hydroxy-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium iodide
CID 13710638
Tropine hydrate
CID 16218784
Azoniaspironortropanol chloride
CID 72941453
8-Butyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 5003945
N-Isopropyltropinium
CID 6453562

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol?
The IUPAC name of (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol (CID 72941454) is (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol.
What is the SMILES notation for (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol?
The canonical SMILES for (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol is OC1C[C@H]2CC[C@@H](C1)[N+]21CCCC1.
What is the InChIKey of (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol?
The InChIKey is MXMOCKPTNSGRFA-ZACCUICWSA-N. The full InChI is InChI=1S/C11H20NO/c13-11-7-9-3-4-10(8-11)12(9)5-1-2-6-12/h9-11,13H,1-8H2/q+1/t9-,10+,11?.
What are the key properties of (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol?
(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol has a molecular weight of 182.29 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol is sourced from PubChem (CID 72941454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).